BDBM48272 7-(3-Methoxy-benzyl)-1,3-dimethyl-8-[(pyridin-3-ylmethyl)-amino]-3,7-dihydro-purine-2,6-dione::7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione::7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione::7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine::MLS000554813::SMR000146930::cid_3756386

SMILES COc1cccc(Cn2c(NCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)c1

InChI Key InChIKey=RMGWMIMBURTBAI-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 48272   

TargetMatrix metalloproteinase-14 [1-36](Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48272(MLS000554813 | 7-(3-Methoxy-benzyl)-1,3-dimethyl-8...)
Affinity DataEC50:  250nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48272(MLS000554813 | 7-(3-Methoxy-benzyl)-1,3-dimethyl-8...)
Affinity DataIC50: 1.46E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48272(MLS000554813 | 7-(3-Methoxy-benzyl)-1,3-dimethyl-8...)
Affinity DataEC50:  2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48272(MLS000554813 | 7-(3-Methoxy-benzyl)-1,3-dimethyl-8...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay